4-(4-nitrophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-quinolin-4-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-nitrophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-quinolin-4-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-nitrophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-6-(4-quinolyl)pyrimidine-5-carboxylic acid CAS Name: 4-(4-nitrophenyl)-2-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-6-(4-quinolinyl)-5-pyrimidinecarboxylic acid IUPAC Name: 4-(4-nitrophenyl)-2-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-quinolin-4-ylpyrimidine-5-carboxylic acid Traditional Name: 4-(4-nitrophenyl)-2-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-6-(4-quinolyl)pyrimidine-5-carboxylic acid Formula: C27H20N8O6 MolecularWeight: 552.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=N2)C3=NC(=NC(=C3C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-])NCCNC5=NC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=N2)C3=NC(=NC(=C3C(=O)O)C4=CC=C(C=C4)[N+](=O)[O-])NCCNC5=NC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H20N8O6/c36-26(37)23-24(16-5-7-17(8-6-16)34(38)39)32-27(30-14-13-29-22-10-9-18(15-31-22)35(40)41)33-25(23)20-11-12-28-21-4-2-1-3-19(20)21/h1-12,15H,13-14H2,(H,29,31)(H,36,37)(H,30,32,33)